SCHEMBL9849607

SCHEMBL9849607

CNc1cc(F)c(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
APP P05067 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30607215 1.00 MEN1 (0.32) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL5514290 0.94 HSD17B10 (0.34) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL5514321 0.91 APP (0.31) APP
SCHEMBL7979895 0.88 HSD17B10 (0.34) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL15935764 0.81 RAPGEF4 (0.34) TSHR
SCHEMBL25153460 0.79 GRM4 (0.36) MEN1TSHRMAPK1KMT2A
SCHEMBL20177766 0.79 KDM1A (0.35) MEN1TSHRKMT2A
SCHEMBL5514141 0.79 ALDH1A1 (0.36)
SCHEMBL5514216 0.79 RET (0.39) CA12CA1CA2CA9APP
SCHEMBL25177509 0.79 NPC1 (0.35) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853741-B Preparation method of novel coronavirus main protease inhibitor 苏州立新制药有限公司 2023-08-04 CN claimed
CN-116640140-A Polycyclic-carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2023-08-25 CN disclosed
CN-114853741-B Preparation method of novel coronavirus main protease inhibitor 苏州立新制药有限公司 2023-08-04 CN disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
CN-111303152-B Polycyclic-carbamoylpyridone compounds and their pharmaceutical use 吉利德科学公司 2023-04-11 CN disclosed
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2022-09-22 US disclosed
CN-113527262-B Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2022-07-15 CN disclosed
CN-113527262-A Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2021-10-22 CN disclosed
EP-3889156-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020151756-A1 STABLE SOLID DISPERSIONS OF B-RAF KINASE DIMER INHIBITOR, METHODS OF PREPARATION, AND USES THEREFOR BEIGENE, LTD. (KY) 2020-07-30 WO disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 EP disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US disclosed
US-8309548-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2012-11-13 US disclosed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US disclosed
CN-102060732-A 5-amino-4-hydroxy-N-aryl azelamide derivatives as well as preparation methods and medical applications thereof JIANGSU HENGRUI MEDICINE CO 2011-05-18 CN disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
EP-0415585-A1 Fluorobenzene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MEN1 3035/4885ALOX15 1503/4885TSHR 1413/4885
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 MEN1 966/4885ALOX15 781/4885TSHR 3400/4885
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 MEN1 966/4885ALOX15 781/4885TSHR 3400/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MEN1 3035/4885ALOX15 1503/4885TSHR 1413/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MEN1 3035/4885ALOX15 1503/4885TSHR 1413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.